2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol

C16H23N5OS — CID 135829617

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/N=N/c2nc(C(C)(C)C)ns2)c(O)c1
InChIInChI=1S/C16H23N5OS/c1-6-21(7-2)11-8-9-12(13(22)10-11)18-19-15-17-14(20-23-15)16(3,4)5/h8-10,22H,6-7H2,1-5H3/b19-18+
InChIKeyRLRIEICBCRIHEB-VHEBQXMUSA-N
MW333.46 g/mol
LogP4.80
Rot. Bonds5

About 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol (PubChem CID 135829617) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol
PubChem CID135829617
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/N=N/c2nc(C(C)(C)C)ns2)c(O)c1
InChIInChI=1S/C16H23N5OS/c1-6-21(7-2)11-8-9-12(13(22)10-11)18-19-15-17-14(20-23-15)16(3,4)5/h8-10,22H,6-7H2,1-5H3/b19-18+
InChIKeyRLRIEICBCRIHEB-VHEBQXMUSA-N
XLogP4.80
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-1,3-benzothiazole-6-carboxylic acid
CID 136797804
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
CID 171731418
2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
CID 136611798
5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol
CID 136648509
5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
CID 135608350
2-[(5-chloro-2-pyridinyl)diazenyl]-5-(diethylamino)phenol;2-[(5-chloro-2-pyridinyl)diazenyl]-5-(diethylamino)phenolate;cobalt;hydrochloride
CID 170845642
sodium;2-[(5-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol;tetraphenylboranuide
CID 174763131
[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium
CID 135608509
5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol
CID 143874335
2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate
CID 20643988
5-(diethylamino)-2-(hydroxymethyl)phenol
CID 55255374

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol (CID 135829617) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(/N=N/c2nc(C(C)(C)C)ns2)c(O)c1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol?
The InChIKey is RLRIEICBCRIHEB-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-6-21(7-2)11-8-9-12(13(22)10-11)18-19-15-17-14(20-23-15)16(3,4)5/h8-10,22H,6-7H2,1-5H3/b19-18+.
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol has a molecular weight of 333.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol is sourced from PubChem (CID 135829617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).